[(E)-[8-methoxy-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2,3-dihydro-1-benzazepin-4-ylidene]amino] propanoate

Systemtic Name: [(E)-[8-methoxy-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2,3-dihydro-1-benzazepin-4-ylidene]amino] propanoate Openeye Name: [(E)-[8-methoxy-5-oxo-1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepin-4-ylidene]amino] propanoate CAS Name: propanoic acid [(E)-[8-methoxy-1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1-benzazepin-4-ylidene]amino] ester IUPAC Name: [(E)-[8-methoxy-1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1-benzazepin-4-ylidene]amino] propanoate Traditional Name: propionic acid [(E)-(5-keto-8-methoxy-1-tosyl-2,3-dihydro-1-benzazepin-4-ylidene)amino] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON=C1CCN(C2=C(C1=O)C=CC(=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(=O)O/N=C/1\CCN(C2=C(C1=O)C=CC(=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O6S/c1-4-20(24)29-22-18-11-12-23(30(26,27)16-8-5-14(2)6-9-16)19-13-15(28-3)7-10-17(19)21(18)25/h5-10,13H,4,11-12H2,1-3H3/b22-18+